(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine

C18H27N3 — CID 99927697

IUPAC(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1ccc2c(c1)cc(CN1CCC[C@H](N(C)C)C1)n2C
InChIInChI=1S/C18H27N3/c1-14-7-8-18-15(10-14)11-17(20(18)4)13-21-9-5-6-16(12-21)19(2)3/h7-8,10-11,16H,5-6,9,12-13H2,1-4H3/t16-/m0/s1
InChIKeyZALZOCLZPTXPTP-INIZCTEOSA-N
MW285.44 g/mol
LogP3.01
Rot. Bonds3

About (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine

(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine (PubChem CID 99927697) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine
PubChem CID99927697
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine
SMILESCc1ccc2c(c1)cc(CN1CCC[C@H](N(C)C)C1)n2C
InChIInChI=1S/C18H27N3/c1-14-7-8-18-15(10-14)11-17(20(18)4)13-21-9-5-6-16(12-21)19(2)3/h7-8,10-11,16H,5-6,9,12-13H2,1-4H3/t16-/m0/s1
InChIKeyZALZOCLZPTXPTP-INIZCTEOSA-N
XLogP3.01
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The IUPAC name of (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine (CID 99927697) is (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine is Cc1ccc2c(c1)cc(CN1CCC[C@H](N(C)C)C1)n2C.
What is the InChIKey of (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine?
The InChIKey is ZALZOCLZPTXPTP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N3/c1-14-7-8-18-15(10-14)11-17(20(18)4)13-21-9-5-6-16(12-21)19(2)3/h7-8,10-11,16H,5-6,9,12-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine?
(3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine has a molecular weight of 285.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1,5-dimethylindol-2-yl)methyl]-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 99927697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).